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9-[3-Azido-3-deoxy-5-O-(tert-butyldiphenylsilyl)-2-O-(methanesulfonyl)-.beta.-D-xylofuranosyl]adenine
SpectraBase Compound ID 2aON46SDUDD
InChI InChI=1S/C27H32N8O5SSi/c1-27(2,3)42(18-11-7-5-8-12-18,19-13-9-6-10-14-19)38-15-20-21(33-34-29)23(40-41(4,36)37)26(39-20)35-17-32-22-24(28)30-16-31-25(22)35/h5-14,16-17,20-21,23,26H,15H2,1-4H3,(H2,28,30,31)/t20-,21+,23-,26-/m1/s1
InChIKey UBOBUVPMEILICL-KNZHSQOXSA-N
Mol Weight 608.7 g/mol
Molecular Formula C27H32N8O5SSi
Exact Mass 608.198564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AzF6m1g0st
Name 9-[3-Azido-3-deoxy-5-O-(tert-butyldiphenylsilyl)-2-O-(methanesulfonyl)-.beta.-D-xylofuranosyl]adenine
CAS Registry Number 68975-02-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N8O5SSi
InChI InChI=1S/C27H32N8O5SSi/c1-27(2,3)42(18-11-7-5-8-12-18,19-13-9-6-10-14-19)38-15-20-21(33-34-29)23(40-41(4,36)37)26(39-20)35-17-32-22-24(28)30-16-31-25(22)35/h5-14,16-17,20-21,23,26H,15H2,1-4H3,(H2,28,30,31)/t20-,21+,23-,26-/m1/s1
InChIKey UBOBUVPMEILICL-KNZHSQOXSA-N
Molecular Weight 608.749 g/mol
SMILES Nc1c2c([n]([C@]3([C@@]([C@@](N=[N+]=[N-])([C@](O3)(CO[Si](C(C)(C)C)(c3ccccc3)c3ccccc3)[H])[H])(OS(=O)(=O)C)[H])[H])cn2)ncn1
SPLASH splash10-000i-0900002000-f0881082fbdd647cde78
Source of Spectrum J-44-1321-0
Synonyms (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-4-azido-5-{[(tert-butyldiphenylsilyl)oxy]methyl}oxolan-3-yl methanesulfonate
Wiley ID 127696